SCHEMBL17724528

SCHEMBL17724528

COC(=O)C[C@@H](NC(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TACR3 P29371 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ RIPK1 Q13546 1/20 0.47
▸ ROCK2 O75116 2/20 0.46
▸ ROCK1 Q13464 2/20 0.46
▸ KCNA5 P22460 2/20 0.46
▸ TSHR P16473 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
SCHEMBL19305381 1.00 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1HPGDTACR3
SCHEMBL20238311 0.84 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1HPGDRIPK1
SCHEMBL20238063 0.84 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1HPGDRIPK1
SCHEMBL8062915 0.84 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1HPGDRIPK1
SCHEMBL17882273 0.83 RIPK1 (0.70) KMT2AMEN1TACR3POLBRIPK1
SCHEMBL19435062 0.83 RIPK1 (0.70) KMT2AMEN1TACR3POLBRIPK1
SCHEMBL15170378 0.83 KMT2A (0.53) ALDH1A1KMT2AMEN1TACR3POLB
SCHEMBL15170380 0.83 KMT2A (0.53) ALDH1A1KMT2AMEN1TACR3POLB
SCHEMBL20237731 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1HPGDRIPK1
SCHEMBL20238750 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1HPGDRIPK1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10131679-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2018-11-20 — — US 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-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
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
WO-2016068287-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND 宇部興産株式会社 2016-05-06 — — 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 (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-20170313727-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND QDPR, CYP2D6, DCLK3 ALDH1A1 246/4885KMT2A 2707/4885MEN1 1501/4885
US-10131679-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, DCLK3 ALDH1A1 246/4885KMT2A 2707/4885MEN1 1501/4885
US-10968238-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, KCNJ11 ALDH1A1 190/4885KMT2A 2605/4885MEN1 1283/4885

“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.

Send feedback