Sugi Predict

Sugi Predict / Compounds / SCHEMBL14911645

SCHEMBL14911645

SCHEMBL14911645

O=Cc1scc(Br)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.36
▸ GPR35 Q9HC97 5/20 0.35
▸ ALAD P13716 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TTR P02766 1/20 0.30
▸ CES2 O00748 1/20 0.30
▸ CES1 P23141 1/20 0.30

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
SCHEMBL30431720 0.79 PRKCZ (0.42) TSHRCYP3A4MAPTMEN1RAB9A
SCHEMBL11640539 0.78 TDP1 (0.33) CYP3A4MAPT
SCHEMBL623033 0.73 TSHR (0.52) TSHRGPR35ALADGSK3BTTR
SCHEMBL1973884 0.71 GPR35 (0.47) TSHRGPR35GSK3BKMT2A
SCHEMBL15331313 0.70 CYP2A6 (0.31) —
SCHEMBL1235476 0.70 — —
SCHEMBL19260334 0.70 PRKCZ (0.40) TSHRGPR35ALADMAPTGSK3B
SCHEMBL28291543 0.70 GPR35 (0.46) TSHRGPR35ALADMAPTCES2
SCHEMBL2145330 0.68 GPR35 (0.50) GPR35MAPT
SCHEMBL25238207 0.67 GPR35 (0.43) TSHRGPR35GSK3BKMT2AALDH1A1

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-12162890-B2 Heteroaromatic NMDA receptor modulators and uses thereof NOVARTIS AG (CH) 2024-12-10 — — US disclosed
WO-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 — — WO disclosed
WO-2023044171-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-03-23 — — WO disclosed
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2023-01-26 — — US disclosed
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2023-01-26 — — US disclosed
US-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof CADENT THERAPEUTICS, INC. (US) 2022-02-01 — — US disclosed
US-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof CADENT THERAPEUTICS, INC. (US) 2022-02-01 — — US disclosed
US-20210107916-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2021-04-15 — — US disclosed
US-20210107916-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2021-04-15 — — US disclosed
EP-3386591-B1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF CADENT THERAPEUTICS INC (US) 2020-06-24 — — EP disclosed
WO-2017100591-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF LUC THERAPEUTICS (US) 2017-06-15 — — WO disclosed
WO-2017100591-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF LUC THERAPEUTICS (US) 2017-06-15 — — WO disclosed
US-9657034-B2 Substituted furo[3,2-c]pyridines, thieno[3,2-c]pyridines, thieno[2,3-d]pyridazines and pyrido[3,4-d]pyridazines as phosphodiesterase type 10A inhibitors AbbVie Deuschland GmbH & Co. KG (DE) 2017-05-23 — — US disclosed
EP-2776418-B1 INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-01-04 — — EP disclosed
US-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-05-19 — — US disclosed
US-9273068-B2 Substituted isoquinolines and phthalazines as inhibitors of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-03-01 — — US disclosed
EP-2776418-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co KG (DE) 2014-09-17 — — EP disclosed
WO-2013068470-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-05-16 — — WO disclosed
US-20130116233-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 — — US disclosed
US-20130116241-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 — — 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 (7 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-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B TSHR 1302/4885GPR35 2556/4885ALAD 4450/4885
US-20130116241-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B TSHR 1302/4885GPR35 2556/4885ALAD 4450/4885
US-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 TSHR 759/4885GPR35 207/4885ALAD 1528/4885
US-12162890-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 TSHR 759/4885GPR35 207/4885ALAD 1528/4885
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 TSHR 759/4885GPR35 207/4885ALAD 1528/4885
US-20130116233-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE2A TSHR 3119/4885GPR35 1112/4885ALAD 3183/4885
US-20210107916-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 TSHR 759/4885GPR35 207/4885ALAD 1528/4885

“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.