SCHEMBL18329482

SCHEMBL18329482

Cc1cc2ccc(F)c(C(=O)O)c2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.39
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
CA9 Q16790 2/20 0.35
MAOA P21397 1/20 0.35
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
CRHBP P24387 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CRHR2 Q13324 1/20 0.33
ACHE P22303 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HPGD P15428 2/20 0.33
GPR35 Q9HC97 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL22416049 0.87 CA9 (0.45) FFAR4CA9MAOACYP3A4MEN1
SCHEMBL27185509 0.83 CA9 (0.40) XDHCA9CYP3A4ACHEHPGD
SCHEMBL18329455 0.80 STING1 (0.39) STING1XDHSLC22A12CA9HPGD
SCHEMBL22416115 0.80 STING1 (0.46) STING1SLC22A12FFAR4CA9HPGD
SCHEMBL18329083 0.79 CYP2C9 (0.35) FFAR4CA9MAOAMEN1CRHBP
SCHEMBL29726653 0.79 CYP2C9 (0.35) FFAR4CA9MAOAMEN1CRHBP
SCHEMBL22416101 0.78 MEN1 (0.42) FFAR4CA9MAOACYP3A4MEN1
SCHEMBL26756504 0.74 ALDH1A1 (0.33) FFAR4CA9MAOACYP3A4MEN1
SCHEMBL4420514 0.71 ALDH1A1 (0.45) CA9MAOACYP3A4MEN1KMT2A
SCHEMBL18329452 0.70 MAOA (0.35) STING1XDHSLC22A12MAOAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230100534-A1 PHARMACEUTICAL COMPOSITION ADMINISTERED IN COMBINATION WITH SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND AND IMMUNOTHERAPEUTIC AGENT UBE CORPORATION (JP) 2023-03-30 US disclosed
US-10894798-B2 Substituted dihydropyrrolopyrazole derivative UBE INDUSTRIES, LTD. (JP) 2021-01-19 US disclosed
US-20200262924-A1 PHARMACEUTICAL COMPOSITION ADMINISTERED IN COMBINATION WITH SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND AND IMMUNOTHERAPEUTIC AGENT UBE INDUSTRIES, LTD. (JP) 2020-08-20 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 (6 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 STING1 4510/4885XDH 1634/4885SLC22A12 909/4885
US-20230100534-A1 PHARMACEUTICAL COMPOSITION ADMINISTERED IN COMBINATION WITH SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND AND IMMUNOTHERAPEUTIC AGENT IL2, CYP2D6, IL2RA STING1 1966/4885XDH 2769/4885SLC22A12 1392/4885
US-10894798-B2 Substituted dihydropyrrolopyrazole derivative QDPR, CYP11B2, CYP4F3 STING1 4510/4885XDH 1634/4885SLC22A12 909/4885
US-20200262924-A1 PHARMACEUTICAL COMPOSITION ADMINISTERED IN COMBINATION WITH SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND AND IMMUNOTHERAPEUTIC AGENT IL2, CYP2D6, CYP3A43 STING1 2204/4885XDH 2330/4885SLC22A12 1937/4885
US-10273252-B2 Substituted dihydropyrrolopyrazole derivative QDPR, CYP11B2, CYP4F3 STING1 4510/4885XDH 1634/4885SLC22A12 909/4885
US-20180186818-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE QDPR, CYP11B2, CYP4F3 STING1 4510/4885XDH 1634/4885SLC22A12 909/4885

“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.