Sugi Predict

Sugi Predict / Compounds / SCHEMBL2328124

SCHEMBL2328124

SCHEMBL2328124

CC(=O)c1cc(CO)on1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 7/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HPGD P15428 2/20 0.38
▸ VHL P40337 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL10520054 0.84 RAB9A (0.46) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL18819583 0.82 SMN1; SMN2 (0.40) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL1706000 0.82 SMN1; SMN2 (0.40) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL1703668 0.82 ALDH1A1 (0.44) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL744240 0.81 NOTUM (0.48) NOTUMSMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL4033216 0.80 SMN1; SMN2 (0.60) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL345666 0.79 NOTUM (0.43) NOTUMSMN1; SMN2RAB9ANPC1MAPK1
SCHEMBL14471322 0.79 SMN1; SMN2 (0.41) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL18973243 0.79 MRGPRX4 (0.52) NOTUMSMN1; SMN2MAPTRAB9ANPC1
SCHEMBL11970699 0.79 MRGPRX4 (0.43) SMN1; SMN2MAPTRAB9ANPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340493-B2 Hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2016-05-17 — — US disclosed
US-20150166569-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR GENENTECH, INC. (US) 2015-06-18 — — US disclosed
US-9034866-B2 Tricyclic compounds and methods of use therefor GENENTECH, INC. (US) 2015-05-19 — — US disclosed
US-20150038460-A1 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor GENENTECH, INC. (US) 2015-02-05 — — US disclosed
US-20150038460-A1 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor GENENTECH, INC. (US) 2015-02-05 — — US disclosed
US-20150038460-A1 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor GENENTECH, INC. (US) 2015-02-05 — — US disclosed
EP-2814830-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR F.HOFFMANN-LA ROCHE AG (CH) 2014-12-24 — — EP disclosed
US-8901313-B2 6,5-heterocyclic propargylic alcohol compounds and uses therefor GENENTECH, INC. (US) 2014-12-02 — — US disclosed
US-8901313-B2 6,5-heterocyclic propargylic alcohol compounds and uses therefor GENENTECH, INC. (US) 2014-12-02 — — US disclosed
US-8901313-B2 6,5-heterocyclic propargylic alcohol compounds and uses therefor GENENTECH, INC. (US) 2014-12-02 — — US disclosed
WO-2012123522-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — WO disclosed
US-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR GENENTECH, INC. (US) 2012-08-23 — — US disclosed
US-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR GENENTECH, INC. (US) 2012-08-23 — — US disclosed
US-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR GENENTECH, INC. (US) 2012-08-23 — — US disclosed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 — — EP disclosed
US-20110178042-A1 Hydroxamic Acid Derivatives Useful as Antibacterial Agents PFIZER INC. (US) 2011-07-21 — — US disclosed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 — — US disclosed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 — — EP disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 — — WO disclosed
US-4766137-A 4-(isoxazolyl)-thiazole-2-oxamic acids and derivatives thereof ZAMBON S.P.A. (IT) 1988-08-23 — — 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 (5 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-20150166569-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR NFKB1, NFKBIA, RELA NOTUM 185/4885SMN1; SMN2 3723/4885MAPT 3462/4885
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ADORA1, ADORA3, TBXA2R NOTUM 2028/4885SMN1; SMN2 4596/4885MAPT 1392/4885
US-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR NFKB1, NFRKB, NFKBIA NOTUM 121/4885SMN1; SMN2 3878/4885MAPT 434/4885
US-20110178042-A1 Hydroxamic Acid Derivatives Useful as Antibacterial Agents HCAR1, HDAC1, H1-0 NOTUM 4201/4885SMN1; SMN2 3282/4885MAPT 4466/4885
US-20150038460-A1 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor NFKB1, NFRKB, NFKBIA NOTUM 121/4885SMN1; SMN2 3878/4885MAPT 434/4885

“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.