SCHEMBL17229449

SCHEMBL17229449

CC(C)CC(=O)COc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ACHE P22303 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CASP3 P42574 2/20 0.32
CASP7 P55210 1/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL22307313 0.86 MAPT (0.56) ALDH1A1MAPTKDM4EHTTCASP3
SCHEMBL7313557 0.81 TSHR (0.50) SMN1; SMN2TSHRALDH1A1MAPTKDM4E
SCHEMBL9425009 0.76 SMN1; SMN2 (0.43) SMN1; SMN2TSHRALDH1A1MAPTKDM4E
SCHEMBL9425117 0.75 TSHR (0.46) SMN1; SMN2TSHRALDH1A1MAPTKDM4E
SCHEMBL9425543 0.74 TSHR (0.42) SMN1; SMN2TSHRALDH1A1MAPTKDM4E
SCHEMBL15268241 0.74 ALOX15 (0.42) SMN1; SMN2ALDH1A1HPGDTDP1CA2
SCHEMBL9425753 0.74 TSHR (0.44) SMN1; SMN2TSHRALDH1A1MAPTKDM4E
SCHEMBL8827471 0.73 TSHR (0.47) SMN1; SMN2TSHRALDH1A1MAPTKDM4E
SCHEMBL22308424 0.72 TSHR (0.41) SMN1; SMN2TSHRKDM4EHTTTDP1
SCHEMBL503651 0.70 SMN1; SMN2 (0.70) SMN1; SMN2TSHRALDH1A1MAPTTDP1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779663-B2 Specific conjugation linkers, specific immunoconjugates thereof, methods of making and uses such conjugates thereof HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-10-10 US disclosed
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-08-03 US disclosed
US-20170209595-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-07-27 US disclosed
US-20170202975-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-07-20 US disclosed
US-20170173176-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-06-22 US disclosed
US-20170173168-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-06-22 US disclosed
US-20170151346-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-06-01 US disclosed
US-20170143845-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD (CN) 2017-05-25 US disclosed
US-20150322155-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE Sushou M-conj Biotech Co., Ltd (CN) 2015-11-12 US disclosed
US-20150314017-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD (CN) 2015-11-05 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 (10 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-20170151346-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE CD74, CD2, EPCAM SMN1; SMN2 3882/4885TSHR 1781/4885ALDH1A1 900/4885
US-20170173176-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE AADAC, EPCAM, DCLRE1A SMN1; SMN2 4722/4885TSHR 2628/4885ALDH1A1 429/4885
US-20170209595-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE CD74, CD2, EPCAM SMN1; SMN2 3882/4885TSHR 1781/4885ALDH1A1 900/4885
US-20170173168-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE AADAC, EPCAM, DCLRE1A SMN1; SMN2 4722/4885TSHR 2628/4885ALDH1A1 429/4885
US-20170143845-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE AADAC, EPCAM, DCLRE1A SMN1; SMN2 4722/4885TSHR 2628/4885ALDH1A1 429/4885
US-20170202975-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE CD74, CD2, EPCAM SMN1; SMN2 3882/4885TSHR 1781/4885ALDH1A1 900/4885
US-20150322155-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE DCLRE1A, AADAC, UACA SMN1; SMN2 4698/4885TSHR 2396/4885ALDH1A1 952/4885
US-11779663-B2 Specific conjugation linkers, specific immunoconjugates thereof, methods of making and uses such conjugates thereof SLC25A1, GCDH, FH SMN1; SMN2 3078/4885TSHR 3303/4885ALDH1A1 743/4885
US-20150314017-A1 DISULFUR BRIDGE LINKERS FOR CONJUGATION OF A CELL-BINDING MOLECULE CD74, CD2, EPCAM SMN1; SMN2 3882/4885TSHR 1781/4885ALDH1A1 900/4885
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS CD4, DCLRE1A, TOP1 SMN1; SMN2 4335/4885TSHR 687/4885ALDH1A1 3405/4885

“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.