SCHEMBL2016201

SCHEMBL2016201

COCCC(C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
CHRM1 P11229 1/20 0.42
POLB P06746 1/20 0.41
TBXAS1 P24557 1/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL2014380 0.90 PTGS2 (0.50) HPGDCYP2C19ALDH1A1SMN1; SMN2
SCHEMBL28615005 0.86 EPHX1 (0.54) HPGDTSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL2016945 0.85 CYP2C19 (0.52) HPGDCYP2C19TSHRALDH1A1KMT2A
SCHEMBL25225149 0.84 L3MBTL1 (0.41) HPGDALDH1A1POLBLMNA
SCHEMBL30387929 0.84 L3MBTL1 (0.41) HPGDALDH1A1POLBLMNA
SCHEMBL3360528 0.84 POLB (0.51) CYP2C19KMT2ACYP2D6POLBLMNA
SCHEMBL29453509 0.84 ACP3 (0.46) HPGDCYP2C19TSHRALDH1A1KMT2A
SCHEMBL28498531 0.83 MMP8 (0.49) HPGDKMT2ASMN1; SMN2CHRM1POLB
SCHEMBL29085518 0.82 KDM4E (0.48) HPGDCYP2C19ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL30371912 0.82 CYP2C19 (0.61) CYP2C19ALDH1A1SMN1; SMN2CYP2D6SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3214086-B1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES (JP) 2021-09-22 EP disclosed
EP-3214086-B1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES (JP) 2021-09-22 EP disclosed
US-10968238-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2021-04-06 US disclosed
US-10968238-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2021-04-06 US disclosed
CN-107074887-B Substituted dihydropyrrolopyrazoles 宇部兴产株式会社 2020-12-22 CN disclosed
US-10246426-B2 Triazole compounds as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-02 US disclosed
US-10131679-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2018-11-20 US disclosed
WO-2017188358-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE 宇部興産株式会社 2017-11-02 WO disclosed
US-20170313727-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES, LTD. (JP) 2017-11-02 US disclosed
US-20170313727-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES, LTD. (JP) 2017-11-02 US disclosed
WO-2017188369-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF ATOPIC DERMATITIS 宇部興産株式会社 2017-11-02 WO disclosed
WO-2017188357-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR DOSING IN COMBINATION WITH OTHER PSORIASIS TREATMENT DRUG 宇部興産株式会社 2017-11-02 WO disclosed
EP-3214086-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND Ube Industries, Ltd. (JP) 2017-09-06 EP disclosed
EP-3214086-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND Ube Industries, Ltd. (JP) 2017-09-06 EP disclosed
EP-3194374-A1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS Idorsia Pharmaceuticals Ltd (CH) 2017-07-26 EP disclosed
WO-2016068287-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND 宇部興産株式会社 2016-05-06 WO disclosed
WO-2016041892-A1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-24 WO disclosed
US-9221773-B2 Benzamide derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-12-29 US disclosed
US-20130045982-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2013-02-21 US disclosed
WO-2011079036-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2011-06-30 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 (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-20170313727-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND QDPR, CYP2D6, DCLK3 HPGD 2108/4885CYP2C19 152/4885TSHR 2798/4885
US-10246426-B2 Triazole compounds as T-type calcium channel blockers CACNA1I, CACNA1E, CACNA1G HPGD 2322/4885CYP2C19 533/4885TSHR 483/4885
US-10131679-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, DCLK3 HPGD 2108/4885CYP2C19 152/4885TSHR 2798/4885
US-20130045982-A1 BENZAMIDE DERIVATIVES BAD, BAK1, BRDT HPGD 917/4885CYP2C19 3590/4885TSHR 3185/4885
US-10968238-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, KCNJ11 HPGD 1706/4885CYP2C19 158/4885TSHR 2880/4885

“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.