SCHEMBL22309192

SCHEMBL22309192

Cn1cc(C(C)(C)[C@H](N[C@@H](CO)c2ccccc2)C(N)=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.40
HAT1 O14929 2/20 0.39
EP300 Q09472 2/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
RIPK1 Q13546 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
APAF1 O14727 1/20 0.36
NR4A2 P43354 1/20 0.36

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
SCHEMBL22069913 1.00 GLA (0.40) GLAHAT1EP300CNR1CNR2
SCHEMBL22345950 0.82 RIPK1 (0.41) GLAHAT1EP300RIPK1ALDH1A1
SCHEMBL22069911 0.81 RIPK1 (0.44) GLAHAT1EP300RIPK1ALDH1A1
SCHEMBL20738926 0.80 IMPDH2 (0.36) GLAHAT1EP300RIPK1KDM4E
SCHEMBL22070173 0.80 IMPDH2 (0.36) GLAHAT1EP300RIPK1KDM4E
SCHEMBL31026915 0.80 IMPDH2 (0.36) GLAHAT1EP300RIPK1KDM4E
SCHEMBL26606652 0.76 RIPK1 (0.51) CNR2RIPK1
SCHEMBL24361065 0.75 RIPK1 (0.50) RIPK1MEN1KMT2A
SCHEMBL22308452 0.75 RIPK1 (0.50) RIPK1MEN1KMT2A
SCHEMBL22309191 0.75 GLA (0.45) GLACNR1CNR2ALDH1A1KDM4E

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 9 patents. 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-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-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative Sumitomo Pharma Co., Ltd. (JP) 2023-10-24 US disclosed
US-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-30 US disclosed
US-20220144889-A1 Hemiasterlin Derivative Having Cysteine Residue SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-05-12 US disclosed
US-20220125941-A1 Hemiasterlin Derivative and Antibody-Drug Conjugate Thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-04-28 US disclosed
US-20200247847-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-06 US disclosed
US-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-06 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 (7 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-20220144889-A1 Hemiasterlin Derivative Having Cysteine Residue SHBG, CYP11A1, CYP11B1 GLA 1861/4885HAT1 629/4885EP300 2738/4885
US-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells POU5F1, POU2F1, POU2F2 GLA 698/4885HAT1 284/4885EP300 1793/4885
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative HSD3B2, HSD3B1, HSD11B2 GLA 1027/4885HAT1 1158/4885EP300 3522/4885
US-20200247847-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative HSD3B2, HSD3B1, HSD11B2 GLA 1027/4885HAT1 1158/4885EP300 3522/4885
US-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same FCGRT, QARS1, INHA GLA 2903/4885HAT1 2666/4885EP300 2788/4885
US-20220125941-A1 Hemiasterlin Derivative and Antibody-Drug Conjugate Thereof SHBG, HSD17B7, CYP17A1 GLA 969/4885HAT1 703/4885EP300 3257/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA GLA 2903/4885HAT1 2666/4885EP300 2788/4885

“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.