SCHEMBL437877

SCHEMBL437877

CCN1C(=O)CC(S)C1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
F2 P00734 1/20 0.39
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39
CTRC Q99895 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
ADAM17 P78536 1/20 0.38
CYP19A1 P11511 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20960393 0.85 CYP19A1 (0.50) ADAM17CYP19A1
SCHEMBL19749316 0.82 CYP19A1 (0.39) HTTADAM17CYP19A1
SCHEMBL15474242 0.82 CYP19A1 (0.53) ALDH1A1CYP19A1
SCHEMBL25091333 0.80 CYP19A1 (0.54) ALDH1A1CYP19A1
SCHEMBL10794648 0.79 CYP19A1 (0.55) ALDH1A1CYP19A1
SCHEMBL21697502 0.79 CYP19A1 (0.55) ALDH1A1CYP19A1
SCHEMBL22593893 0.79 CYP19A1 (0.55) ALDH1A1CYP19A1
SCHEMBL22765385 0.78 ADAM17 (0.35) ADAM17CYP19A1
SCHEMBL25017812 0.78 ADAM17 (0.35) ADAM17CYP19A1
SCHEMBL23775260 0.76 ADAM17 (0.44) TSHRALDH1A1ADAM17

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 US disclosed
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative Sumitomo Pharma Co., Ltd. (JP) 2023-10-24 US disclosed
US-11779602-B2 Methods of use for CAR T cells ENDOCYTE, INC. (US) 2023-10-10 US disclosed
US-11759480-B2 Compositions and methods for CAR T cell therapy ENDOCYTE, INC. (US) 2023-09-19 US disclosed
US-11717514-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2023-08-08 US disclosed
WO-2022256507-A1 TREATMENT OF CANCER IN PATIENTS WITH SOLUBLE FR-ALPHA IMMUNOGEN, INC. (US) 2022-12-08 WO disclosed
EP-3901162-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF AbbVie Inc. (US) 2021-10-27 EP disclosed
EP-3268050-B1 PORE-FORMING PROTEIN CONJUGATE COMPOSITIONS AND METHODS UNIV COLUMBIA (US) 2021-07-14 EP disclosed
US-20210154311-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE INC (US) 2021-05-27 US disclosed
US-20210077468-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2021-03-18 US disclosed
US-8465724-B2 Multi-drug ligand conjugates ENDOCYTE, INC. (US) 2013-06-18 US disclosed
US-20130116195-A1 Binding ligand linked drug delivery conjugates of tubulysins LEAMON CHRISTOPHER PAUL (US) 2013-05-09 US disclosed
US-20120270791-A1 Methods and Compositions for Treating and Diagnosing Kidney Disease LEAMON CHRISTOPHER PAUL (US) 2012-10-25 US disclosed
US-20120065149-A1 Vitamin receptor binding drug delivery conjugates VLAHOV IONTCHO R (US) 2012-03-15 US disclosed
US-20120022245-A1 FOLATE TARGETING OF NUCLEOTIDES PURDUE RESEARCH FOUNDATION (US) 2012-01-26 US disclosed
US-20120003151-A1 METHOD FOR EARLY IMAGING OF ATHEROSCLEROSIS PURDUE RESEARCH FOUNDATION (US) 2012-01-05 US disclosed
US-20100104626-A1 METHODS AND COMPOSITIONS FOR TREATING AND DIAGNOSING KIDNEY DISEASE ENDOCYTE, INC. (US) 2010-04-29 US disclosed
US-20100048490-A1 BINDING LIGAND LINKED DRUG DELIVERY CONJUGATES OF TUBULYSINS ENDOCYTE, INC. 2010-02-25 US disclosed
US-20080280937-A1 Ligand Conjugates of Vinca Alkaloids, Analogs, and Derivatives ENDOCYTE, INC. 2008-11-13 US disclosed
US-20080248052-A1 Vitamin receptor binding drug delivery conjugate ENDOCYTE, INC. 2008-10-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120003151-A1 METHOD FOR EARLY IMAGING OF ATHEROSCLEROSIS MSR1, VCAM1, CD14 TSHR 3503/4885HTT 3830/4885F2 713/4885
US-20120022245-A1 FOLATE TARGETING OF NUCLEOTIDES FOLR1, FOLR2, DHFR TSHR 1536/4885HTT 2145/4885F2 3808/4885
US-20130116195-A1 Binding ligand linked drug delivery conjugates of tubulysins TEK, TEKT1, CD2BP2 TSHR 2447/4885HTT 639/4885F2 4254/4885
US-20210077468-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 TSHR 3006/4885HTT 4374/4885F2 2448/4885
US-20210154311-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 TSHR 3610/4885HTT 1461/4885F2 4489/4885
US-20080248052-A1 Vitamin receptor binding drug delivery conjugate VDR, HCAR1, FOLR1 TSHR 95/4885HTT 3729/4885F2 3461/4885
US-11759480-B2 Compositions and methods for CAR T cell therapy CD47, PBK, GZMB TSHR 4199/4885HTT 2544/4885F2 4114/4885
US-11779602-B2 Methods of use for CAR T cells CD47, CD4, CD2 TSHR 3587/4885HTT 2770/4885F2 3224/4885
US-20100104626-A1 METHODS AND COMPOSITIONS FOR TREATING AND DIAGNOSING KIDNEY DISEASE VDR, GC, CYP24A1 TSHR 428/4885HTT 4372/4885F2 372/4885
US-20120065149-A1 Vitamin receptor binding drug delivery conjugates VDR, CYP2R1, CYP24A1 TSHR 377/4885HTT 4087/4885F2 1983/4885
US-20120270791-A1 Methods and Compositions for Treating and Diagnosing Kidney Disease VDR, GC, CYP24A1 TSHR 428/4885HTT 4372/4885F2 372/4885
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative HSD3B2, HSD3B1, HSD11B2 TSHR 1852/4885HTT 1233/4885F2 2542/4885
US-20080280937-A1 Ligand Conjugates of Vinca Alkaloids, Analogs, and Derivatives VDR, HCAR1, FOLR1 TSHR 871/4885HTT 2010/4885F2 4575/4885
US-20100048490-A1 BINDING LIGAND LINKED DRUG DELIVERY CONJUGATES OF TUBULYSINS TEK, TEKT1, VDR TSHR 1341/4885HTT 1841/4885F2 4467/4885
US-11717514-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 TSHR 3006/4885HTT 4374/4885F2 2448/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA TSHR 1863/4885HTT 359/4885F2 2977/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.