SCHEMBL18329488

SCHEMBL18329488

Cc1coc2c(C(=O)O)c(F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MCL1 Q07820 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CAT P04040 1/20 0.32
▸ LDHA P00338 2/20 0.32
▸ LDHB P07195 2/20 0.32
▸ F2RL1 P55085 1/20 0.32
▸ FABP3 P05413 1/20 0.32
▸ FABP4 P15090 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ KCNA3 P22001 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL6305348 0.72 KCNA3 (0.39) F2RL1CES1KCNA3
SCHEMBL4419414 0.71 CES1 (0.39) SMN1; SMN2MCL1TP53KDM4EPOLB
SCHEMBL19585479 0.70 KMT2A (0.40) SMN1; SMN2MEN1KMT2ACES1ALDH1A1
SCHEMBL17897046 0.69 METAP2 (0.47) SMN1; SMN2MCL1MEN1KMT2ALDHA
SCHEMBL1018937 0.69 MEN1 (0.42) SMN1; SMN2MEN1KMT2AFABP4CES1
SCHEMBL3309453 0.69 CES2 (0.50) MEN1KMT2ATP53KDM4ECAT
SCHEMBL30048528 0.69 CES2 (0.50) MEN1KMT2ATP53KDM4ECAT
SCHEMBL3757971 0.68 CES2 (0.41) SMN1; SMN2MEN1KMT2AKDM4ECAT
SCHEMBL6302351 0.68 FABP3 (0.44) SMN1; SMN2MEN1KMT2ACATLDHA
SCHEMBL30673290 0.68 FABP3 (0.44) SMN1; SMN2MEN1KMT2ACATLDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894798-B2 Substituted dihydropyrrolopyrazole derivative UBE INDUSTRIES, LTD. (JP) 2021-01-19 — — US disclosed
US-20190256531-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2019-08-22 — — US disclosed
US-10273252-B2 Substituted dihydropyrrolopyrazole derivative UBE INDUSTRIES, LTD. (JP) 2019-04-30 — — US disclosed
US-20180186818-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2018-07-05 — — US disclosed
US-20180186818-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2018-07-05 — — US disclosed
EP-3309163-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE Industries, Ltd. (JP) 2018-04-18 — — EP disclosed
WO-2016204153-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE 宇部興産株式会社 2016-12-22 — — 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 (4 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-20190256531-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE QDPR, CYP11B2, CYP4F3 SMN1; SMN2 2491/4885MCL1 1809/4885MEN1 2160/4885
US-10894798-B2 Substituted dihydropyrrolopyrazole derivative QDPR, CYP11B2, CYP4F3 SMN1; SMN2 2491/4885MCL1 1809/4885MEN1 2160/4885
US-10273252-B2 Substituted dihydropyrrolopyrazole derivative QDPR, CYP11B2, CYP4F3 SMN1; SMN2 2491/4885MCL1 1809/4885MEN1 2160/4885
US-20180186818-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE QDPR, CYP11B2, CYP4F3 SMN1; SMN2 2491/4885MCL1 1809/4885MEN1 2160/4885

“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.

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