Sugi Predict

Sugi Predict / Compounds / SCHEMBL616685

SCHEMBL616685

SCHEMBL616685

OCc1c(F)ccc(Cl)c1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.41
▸ NR4A2 P43354 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ MPO P05164 1/20 0.37
▸ BACE1 P56817 1/20 0.33
▸ CD38 P28907 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP2A13 Q16696 1/20 0.33
▸ NOTUM Q6P988 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ MET P08581 1/20 0.32
▸ CACNA1G O43497 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ GPR17 Q13304 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL17414242 0.86 TAAR1 (0.39) TAAR1GAABACE1CD38KDM4E
SCHEMBL21355814 0.83 TAAR1 (0.38) TAAR1GAAMPOBACE1CD38
SCHEMBL6072587 0.82 TAAR1 (0.41) TAAR1NR4A2GAABACE1CD38
SCHEMBL20534630 0.82 TAAR1 (0.41) TAAR1NR4A2GAABACE1CNR1
SCHEMBL29970924 0.82 TAAR1 (0.41) TAAR1NR4A2GAABACE1CNR1
SCHEMBL30368120 0.80 CES2 (0.37) TAAR1NR4A2GAAKMT2A
SCHEMBL702012 0.80 CES2 (0.37) TAAR1NR4A2GAAKMT2A
SCHEMBL23088480 0.78 CA12 (0.34) TAAR1MPONOTUM
SCHEMBL29792787 0.78 CA12 (0.34) TAAR1MPONOTUM
SCHEMBL16044441 0.78 NOTUM (0.32) TAAR1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459766-A Fluorosilicone oil containing phosphate and preparation method thereof 中国科学院上海有机化学研究所 2024-08-09 — — CN claimed
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents PFIZER INC. 2003-08-07 — — US claimed
US-20010020034-A1 Isothiazole derivatives useful as anticancer agents PFIZER, INC. 2001-09-06 — — US claimed
EP-1084114-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-03-21 — — EP claimed
WO-1999062890-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-12-09 — — WO claimed
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 — — US disclosed
CN-118459766-A Fluorosilicone oil containing phosphate and preparation method thereof 中国科学院上海有机化学研究所 2024-08-09 — — CN disclosed
CN-107973809-B Macrocyclic compounds as factor XIA inhibitors 百时美施贵宝公司 2023-06-30 — — CN disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 — — US disclosed
US-11560389-B2 Heterocyclic inhibitors of monocarboxylate transporters UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-01-24 — — US disclosed
US-20210094969-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-04-01 — — US disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 — — EP disclosed
US-6548526-B2 Isothiazole derivatives useful as anticancer agents PFIZER INC 2003-04-15 — — US disclosed
US-6313100-B1 ANTIBACTERIAL, ANTIPROTOZOA AGENTS PFIZER INC 2001-11-06 — — US disclosed
US-20010020034-A1 Isothiazole derivatives useful as anticancer agents PFIZER, INC. 2001-09-06 — — US disclosed
US-6235764-B1 Isothiazole derivatives useful as anticancer agents PFIZER INC. 2001-05-22 — — US disclosed
EP-1084114-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-03-21 — — EP disclosed
EP-1075483-A2 HYGROMYCIN A DERIVATIVES Pfizer Products Inc. (US) 2001-02-14 — — EP disclosed
WO-1999062890-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-12-09 — — WO disclosed
WO-1999057125-A2 HYGROMYCIN A DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-11-11 — — 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 (6 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-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 TAAR1 4566/4885NR4A2 4008/4885GAA 3302/4885
US-20010020034-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 TAAR1 4466/4885NR4A2 2869/4885GAA 2381/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 TAAR1 4466/4885NR4A2 2869/4885GAA 2381/4885
US-20210094969-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A1, SLC16A3, SLC16A7 TAAR1 2291/4885NR4A2 764/4885GAA 1769/4885
US-11560389-B2 Heterocyclic inhibitors of monocarboxylate transporters SLC16A1, SLC16A3, SLC16A7 TAAR1 2291/4885NR4A2 764/4885GAA 1769/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 TAAR1 4566/4885NR4A2 4008/4885GAA 3302/4885

“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.