SCHEMBL350463

SCHEMBL350463

CCC(C(=O)O)c1ccc(Cl)nc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.61
AKR1C2 P52895 10/20 0.61
NAPRT Q6XQN6 1/20 0.44
AKR1C1 Q04828 1/20 0.44
PTGS1 P23219 1/20 0.44
P4HTM Q9NXG6 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DGAT1 O75907 1/20 0.38
FFAR2 O15552 1/20 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
SCHEMBL16751892 0.87 AKR1C3 (0.49) AKR1C3AKR1C2NAPRTP4HTMALDH1A1
SCHEMBL960146 0.81 AKR1C3 (0.43) AKR1C3AKR1C2NAPRTP4HTMALDH1A1
SCHEMBL12844795 0.80 AKR1C3 (0.44) AKR1C3AKR1C2NAPRTALDH1A1DGAT1
SCHEMBL1747692 0.80 AKR1C3 (0.44) AKR1C3AKR1C2ALDH1A1CYP2C9CYP2C19
SCHEMBL5163504 0.80 AKR1C3 (0.45) AKR1C3AKR1C2NAPRTALDH1A1DGAT1
SCHEMBL1747703 0.78 AKR1C3 (0.42) AKR1C3AKR1C2NAPRTALDH1A1DGAT1
SCHEMBL9104086 0.78 P4HTM (0.49) AKR1C3AKR1C2NAPRTPTGS1P4HTM
SCHEMBL27801799 0.78 NAPRT (0.42) AKR1C3AKR1C2NAPRTP4HTMALDH1A1
SCHEMBL1574429 0.78 AKR1C3 (0.58) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1
SCHEMBL31420077 0.77 NAPRT (0.48) AKR1C3AKR1C2NAPRTPTGS1CYP2C9

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015928-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION (US) 2012-01-19 US disclosed
US-8058288-B2 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-11-15 US disclosed
US-7902233-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2011-03-08 US disclosed
US-7902233-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2011-03-08 US disclosed
US-7902233-B2 Compounds useful as pesticides DOW AGROSCIENCES LLC (US) 2011-03-08 US disclosed
EP-1572656-B1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2010-05-26 EP disclosed
EP-1572656-B1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2010-05-26 EP disclosed
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 US disclosed
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2009-12-24 US disclosed
EP-1572656-A4 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2006-09-06 EP disclosed
US-20060063741-A1 Compounds useful as pesticides BENKO ZOLTAN L 2006-03-23 US disclosed
EP-1572656-A2 COMPOUNDS USEFUL AS PESTICIDES Dow Agrosciences LLC (US) 2005-09-14 EP disclosed
WO-2004057960-A2 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2004-07-15 WO disclosed
US-5466690-A Treating psoriasis ALLERGAN, INC. (US) 1995-11-14 US disclosed
US-5354776-A Treating psoriasis ALLERGAN, INC. (US) 1994-10-11 US disclosed
EP-0284261-B1 Acetylenes disubstituted with a heteroaromatic group and a tetralin group having retinoid like activity ALLERGAN INC (US) 1994-01-05 EP disclosed
US-5246962-A Psoriasis, skin disorders ALLERGAN, INC. (US) 1993-09-21 US disclosed
US-5149705-A Treatment of psoriasis ALLERGAN, INC. (US) 1992-09-22 US disclosed
EP-0284261-A1 Acetylenes disubstituted with a heteroaromatic group and a tetralin group having retinoid like activity ALLERGAN, INC (US) 1988-09-28 EP 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-20060063741-A1 Compounds useful as pesticides DDT, ACHE, BCHE AKR1C3 2453/4885AKR1C2 2544/4885NAPRT 2073/4885
US-20090318466-A1 COMPOUNDS USEFUL AS PESTICIDES DDT, ACHE, BCHE AKR1C3 2453/4885AKR1C2 2544/4885NAPRT 2073/4885
US-20120015928-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 AKR1C3 43/4885AKR1C2 31/4885NAPRT 1990/4885
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 AKR1C3 807/4885AKR1C2 436/4885NAPRT 886/4885

“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.