Sugi Predict

Sugi Predict / Compounds / SCHEMBL4070485

SCHEMBL4070485

SCHEMBL4070485

CSc1cc(F)ccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.48
▸ CES2 O00748 2/20 0.44
▸ CES1 P23141 2/20 0.44
▸ MCL1 Q07820 1/20 0.42
▸ NOTUM Q6P988 2/20 0.40
▸ POLB P06746 2/20 0.39
▸ CLCN2 P51788 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ DHFR P00374 1/20 0.39
▸ TTR P02766 1/20 0.39
▸ ALB P02768 1/20 0.39

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
SCHEMBL11771246 0.85 KEAP1 (0.53) KEAP1CES2CES1MCL1NOTUM
SCHEMBL6227141 0.84 POLB (0.52) KEAP1CES2CES1NOTUMPOLB
SCHEMBL11158594 0.83 MCL1 (0.46) KEAP1CES2CES1MCL1NOTUM
SCHEMBL4068010 0.83 CES2 (0.42) KEAP1CES2CES1KDM4EMEN1
SCHEMBL10937151 0.81 MEN1 (0.44) KEAP1KDM4EMEN1LMNAKMT2A
SCHEMBL9952116 0.80 KEAP1 (0.44) KEAP1CES2CES1NOTUMPOLB
SCHEMBL8495058 0.80 CSNK2A1 (0.53) MCL1NOTUMPOLBCA1CA2
SCHEMBL10453980 0.78 AR (0.49) MCL1POLBKDM4ECA1CA2
SCHEMBL4438684 0.78 KEAP1 (0.50) KEAP1CES2CES1NOTUMPOLB
SCHEMBL8533536 0.78 RHEB (0.47) KEAP1CES2CES1NOTUMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349949-A N- substituted indole derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2018-07-31 — — CN disclosed
CN-105209039-B LXR conditioning agents 百时美施贵宝公司 2018-06-22 — — CN disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
CN-105188380-B LXR conditioning agents 百时美施贵宝公司 2017-08-15 — — CN disclosed
CN-105209039-A LXR modulators BRISTOL MYERS SQUIBB CO 2015-12-30 — — CN disclosed
CN-105188380-A LXR modulators BRISTOL MYERS SQUIBB CO 2015-12-23 — — CN disclosed
CN-102648184-B LXR conditioning agent EXELIXIS, INC. (US) 2015-09-30 — — CN disclosed
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 — — EP disclosed
US-7279487-B2 Hydroxynaphthyridinone carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2007-10-09 — — US disclosed
US-7279487-B2 Hydroxynaphthyridinone carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2007-10-09 — — US disclosed
EP-1467970-B1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2007-08-22 — — EP disclosed
EP-1467970-A4 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2005-12-21 — — EP disclosed
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors ANTHONY NEVILLE J (US) 2005-08-11 — — US disclosed
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 — — US disclosed
US-20050119482-A1 Hydroxynaphthyridinone carboxamides useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2005-06-02 — — US disclosed
EP-1467970-A1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2004-10-20 — — EP disclosed
WO-2003062204-A1 HYDROXYNAPHTHYRIDINONE CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2003-07-31 — — WO disclosed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 — — EP disclosed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 — — US disclosed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 — — WO 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 (3 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-20050119482-A1 Hydroxynaphthyridinone carboxamides useful as hiv integrase inhibitors HCLS1, POLR2A, CCNT1 KEAP1 4812/4885CES2 543/4885CES1 399/4885
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA KEAP1 3871/4885CES2 670/4885CES1 1025/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA KEAP1 3871/4885CES2 670/4885CES1 1025/4885

“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.