SCHEMBL8307559

SCHEMBL8307559

COc1nc(C)c(C(=O)O)s1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HPGD P15428 2/20 0.55
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 6/20 0.46
RAB9A P51151 4/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 3/20 0.44
POLB P06746 1/20 0.44
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
KMT2A Q03164 1/20 0.41
TARBP2 Q15633 1/20 0.39
PKM P14618 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSP90AA1 P07900 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
Hydrochloric Acid SCHEMBL9643731 0.98 ALDH1A1 (0.53) ALDH1A1HPGDTSHRSMN1; SMN2KDM4E
SCHEMBL9643726 0.82 ALDH1A1 (0.40) ALDH1A1HPGDTSHRSMN1; SMN2KDM4E
SCHEMBL5277361 0.82 LMNA (0.42) ALDH1A1HPGDTSHRKDM4ERAB9A
SCHEMBL9644950 0.79 ALDH1A1 (0.50) ALDH1A1HPGDTSHRSMN1; SMN2KDM4E
SCHEMBL18114028 0.79 ALDH1A1 (0.46) ALDH1A1HPGDTSHRSMN1; SMN2KDM4E
SCHEMBL20894398 0.78 ALDH1A1 (0.36) ALDH1A1HPGDTSHRSMN1; SMN2KDM4E
SCHEMBL8965318 0.78 ALDH1A1 (0.44) ALDH1A1HPGDTSHRSMN1; SMN2KDM4E
SCHEMBL26686993 0.77 ALDH1A1 (0.47) ALDH1A1HPGDTSHRSMN1; SMN2KDM4E
SCHEMBL9642846 0.76 PKM (0.38) ALDH1A1HPGDTSHRSMN1; SMN2TARBP2
SCHEMBL9644225 0.76 ALDH1A1 (0.34) ALDH1A1HPGDTSHRSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167944-B Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors 联合疗法公司 2024-08-23 CN claimed
US-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-11-21 US disclosed
CN-110167944-B Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors 联合疗法公司 2024-08-23 CN disclosed
EP-4192814-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-08-07 EP disclosed
CN-117616011-A Inhibitors of transglutaminase 策迪拉有限公司 2024-02-27 CN disclosed
WO-2023110138-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-22 WO disclosed
EP-4192814-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2023-06-14 EP disclosed
WO-2023275337-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US disclosed
WO-2015069011-A1 NOVEL COMPOUND, METHOD FOR PREPARATION THEREOF, AND ANTIFUNGAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-05-14 WO disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO disclosed
EP-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 EP disclosed
CN-1028477-C Microbicide composition containing thiazolyl-5-carboxamide derivatives CIBA GEIGY AG (CH) 1995-05-24 CN disclosed
US-5136042-A PROCESS FOR THE PREPARATION OF THIAZOLECARBOXYLIC ACID CHLORIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1992-08-04 US disclosed
EP-0377750-A1 PROCESS FOR PREPARING THIAZOLECARBOXYLIC ACID CHLORIDES MITSUI CHEMICALS, INC. (JP) 1990-07-18 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 (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-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 ALDH1A1 1825/4885HPGD 671/4885TSHR 3418/4885
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG ALDH1A1 2810/4885HPGD 1697/4885TSHR 647/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG ALDH1A1 2810/4885HPGD 1697/4885TSHR 647/4885

“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.