SCHEMBL17018756

SCHEMBL17018756

CCN1CCc2c(sc(NC(=O)OC(C)(C)C)c2C(=O)N2CCOCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ TSHR P16473 1/20 0.50
▸ KMT2A Q03164 4/20 0.49
▸ USP2 O75604 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MAPT P10636 3/20 0.47
▸ ATM Q13315 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ KCNH2 Q12809 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CNR1 P21554 3/20 0.44
▸ CNR2 P34972 3/20 0.44
▸ GAA P10253 1/20 0.43

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
SCHEMBL16962841 0.86 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10TSHRKMT2A
SCHEMBL17018754 0.85 L3MBTL1 (0.50) ALDH1A1KDM4EKMT2AUSP2MAPT
SCHEMBL17006418 0.85 L3MBTL1 (0.52) ALDH1A1KDM4EKMT2AMAPTL3MBTL1
SCHEMBL17018760 0.83 KMT2A (0.50) ALDH1A1KDM4EKMT2AUSP2MAPT
SCHEMBL17006340 0.82 MAPT (0.63) ALDH1A1KDM4EHSD17B10TSHRKMT2A
SCHEMBL18902218 0.80 L3MBTL1 (0.46) ALDH1A1KDM4EKMT2AUSP2MAPT
SCHEMBL16961933 0.79 KCNH2 (0.73) ALDH1A1KDM4ETSHRKMT2AUSP2
SCHEMBL17018758 0.78 RAD52 (0.45) ALDH1A1KDM4EKMT2AUSP2MAPT
Hydrochloric Acid SCHEMBL16961063 0.78 KCNH2 (0.74) ALDH1A1KDM4ETSHRKMT2AUSP2
SCHEMBL16962118 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10TSHRKMT2A

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-9902738-B2 Compounds and methods for preventing, treating and/or protecting against sensory hair cell death UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-02-27 — — US disclosed
US-9902738-B2 Compounds and methods for preventing, treating and/or protecting against sensory hair cell death UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-02-27 — — US disclosed
EP-2900674-B1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-05-31 — — EP disclosed
US-20160326186-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH FRED HUTCHINSON CANCER CENTER 2016-11-10 — — US disclosed
US-20160326186-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH FRED HUTCHINSON CANCER CENTER 2016-11-10 — — US disclosed
US-9416141-B2 Compounds and methods for preventing, treating and/or protecting against sensory hair cell death UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2016-08-16 — — US disclosed
US-9416141-B2 Compounds and methods for preventing, treating and/or protecting against sensory hair cell death UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2016-08-16 — — US disclosed
US-20150232476-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2015-08-20 — — US disclosed
US-20150232476-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2015-08-20 — — 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 (2 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-20160326186-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH BAX, CASP3, BCL2 ALDH1A1 426/4885KDM4E 4348/4885HSD17B10 2412/4885
US-20150232476-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH BAX, CASP3, BCL2 ALDH1A1 426/4885KDM4E 4348/4885HSD17B10 2412/4885

“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.

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