SCHEMBL4943858

SCHEMBL4943858

CC(C)(C(=O)CP(=O)(O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MAPT P10636 1/20 0.50
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
PTPN1 P18031 1/20 0.42
POLB P06746 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
CFTR P13569 1/20 0.39
LAP3 P28838 3/20 0.38
TSHR P16473 3/20 0.38

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
SCHEMBL11814086 0.90 PTPN5 (0.49) KMT2AMAPTALDH1A1LMNAHPGD
SCHEMBL4912046 0.86 PTPN5 (0.53) PTPN1
SCHEMBL11663204 0.82 CYP2C19 (0.42) KMT2AMAPTCYP2C19HIF1APTPN1
SCHEMBL11812231 0.82 PTPN5 (0.43) KMT2AHDAC8HDAC6HSD11B1MEN1
SCHEMBL6672222 0.81 MAPT (0.46) KMT2AMAPTCYP2C19HIF1APTPN1
SCHEMBL3970825 0.80 MAPT (0.47) KMT2AMAPTSMN1; SMN2HSD11B1MEN1
SCHEMBL31117250 0.80 CYP1A2 (0.45) KMT2AMAPTCYP2C19HIF1APTPN1
SCHEMBL3020859 0.78 PTPN1 (0.52) PTPN1
SCHEMBL1195864 0.77 CES1 (0.57) KMT2AMAPTCYP2C19HIF1APTPN1
SCHEMBL4447460 0.76 KMT2A (0.57) KMT2AMAPTCYP2C19HIF1APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419999-B2 Gamma lactams as prostaglandin agonists and use thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-09-02 US disclosed
EP-1556347-A4 GAMMA LACTAMS AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2006-08-09 EP disclosed
US-20050288357-A1 Gamma lactams as prostaglandin agonists and use thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-12-29 US disclosed
EP-1556347-A2 GAMMA LACTAMS AS PROSTAGLANDIN AGONISTS AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2005-07-27 EP disclosed
WO-2003103604-A2 GAMMA LACTAMS AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V (AN) 2003-12-18 WO disclosed
WO-1995028413-A1 17β-SUBSTITUTED 3-CARBOXY STEROIDS THAT INHIBIT 5-α-REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1995-10-26 WO disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
US-4035360-A TISSUE SPECIFICITY, CRYSTALLINE PFIZER INC. (US) 1977-07-12 US disclosed
US-4018892-A Bone deposition by 16-aryl-13,14-dihydro-PGE2 p-biphenyl esters PFIZER INC. (US) 1977-04-19 US disclosed
US-4000309-A Bone deposition by 16-aryl-13,14-dihydro-PGE2 p-biphenyl esters PFIZER INC. (US) 1976-12-28 US disclosed
US-3982016-A Bone deposition by 16-aryl-13,14-dihydro-PGE2 p-biphenyl esters PFIZER INC. (US) 1976-09-21 US disclosed
US-3932389-A ANTIULCER AGENTS PFIZER INC. (US) 1976-01-13 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 (1 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-20050288357-A1 Gamma lactams as prostaglandin agonists and use thereof PGF, HPGDS, PTGIS KMT2A 4128/4885MAPT 3715/4885CYP2C19 57/4885

“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.