SCHEMBL2622202

SCHEMBL2622202

COC(=O)[C@H](Cc1ccccc1)NC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.60
ALDH1A1 P00352 3/20 0.58
THRB P10828 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 1/20 0.58
POLB P06746 2/20 0.57
LMNA P02545 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CA12 O43570 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
GLA P06280 1/20 0.55
ANPEP P15144 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL25796815 0.89 ATM (0.49) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL26635822 0.89 MMP8 (0.55) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL5772096 0.87 ATM (0.57) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL5772094 0.87 ATM (0.57) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL9223334 0.86 NPSR1 (0.55) ALDH1A1KMT2AL3MBTL1
SCHEMBL2622217 0.86 NPSR1 (0.55) ALDH1A1KMT2AL3MBTL1
SCHEMBL1061398 0.86 NPSR1 (0.55) ALDH1A1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL16060732 0.86 ATM (0.56) ATMALDH1A1THRBCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL16060730 0.86 ATM (0.56) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL2058952 0.85 ESR1 (0.58) ATMALDH1A1KMT2A

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-11091511-B2 Panaxdiol-type ginsenoside derivative, preparation method therefor and use thereof ARMY MEDICAL UNIVERSITY (CN) 2021-08-17 US disclosed
US-20190256549-A1 PANAXDIOL-TYPE GINSENOSIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ARMY MEDICAL UNIVERSITY (CN) 2019-08-22 US disclosed
US-20130274278-A1 IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2013-10-17 US disclosed
US-20130274278-A1 IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2013-10-17 US disclosed
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 US disclosed
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 US disclosed
US-20120094917-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP (US) 2012-04-19 US disclosed
US-20120094917-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP (US) 2012-04-19 US disclosed
US-7507820-B2 Diazaphosphacycles WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-03-24 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 (4 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-20190256549-A1 PANAXDIOL-TYPE GINSENOSIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF LDLR, NR1H2, TNF ATM 1861/4885ALDH1A1 3313/4885THRB 4521/4885
US-20130274278-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 ATM 3400/4885ALDH1A1 4750/4885THRB 3639/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 ATM 3400/4885ALDH1A1 4750/4885THRB 3639/4885
US-11091511-B2 Panaxdiol-type ginsenoside derivative, preparation method therefor and use thereof TNF, NR1H2, LDLR ATM 1587/4885ALDH1A1 3438/4885THRB 4484/4885

“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.