SCHEMBL17497672

SCHEMBL17497672

O=C(O)C(COCc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.54
TACR1 P25103 2/20 0.53
CA1 P00915 4/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.48
MME P08473 1/20 0.48
FOLH1 Q04609 1/20 0.48
CYP2C19 P33261 1/20 0.47
EPHX1 P07099 1/20 0.47
MMP9 P14780 1/20 0.46
MMP14 P50281 1/20 0.46
MAPK1 P28482 1/20 0.44

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
SCHEMBL19305351 1.00 SLC1A1 (0.54) SLC1A1TACR1CA1CA2CA7
SCHEMBL17497668 1.00 SLC1A1 (0.54) SLC1A1TACR1CA1CA2CA7
SCHEMBL21049648 0.80 CYP2C19 (0.49) SMN1; SMN2TSHRCYP2C19
SCHEMBL8839263 0.79 SLC1A1 (0.73) SLC1A1TACR1CA1CA2CA7
SCHEMBL3456378 0.79 L3MBTL1 (0.42) TACR1SMN1; SMN2CYP2C19
SCHEMBL1360316 0.78 CA1 (0.58) SLC1A1TACR1CA1CA2CA7
SCHEMBL1768176 0.78 CA1 (0.58) SLC1A1TACR1CA1CA2CA7
SCHEMBL1360318 0.78 CA1 (0.58) SLC1A1TACR1CA1CA2CA7
SCHEMBL31304908 0.77 CYP2C19 (0.46) SMN1; SMN2CYP2C19
SCHEMBL185608 0.76 SLC1A1 (0.73) SLC1A1TACR1CA1CA2CA7

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 8 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
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
EP-3214086-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND Ube Industries, Ltd. (JP) 2017-09-06 EP disclosed
CN-107074887-A Substituted-dihydro pyrrolo-pyrazole compound 宇部兴产株式会社 2017-08-18 CN disclosed
US-20160046590-A1 SONIC HEDGEHOG MODULATORS MASSACHUSETTS INST TECHNOLOGY (US) 2016-02-18 US 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-20170313727-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND QDPR, CYP2D6, DCLK3 SLC1A1 899/4885TACR1 1879/4885CA1 4181/4885
US-10131679-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, DCLK3 SLC1A1 899/4885TACR1 1879/4885CA1 4181/4885
US-10968238-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, KCNJ11 SLC1A1 668/4885TACR1 2050/4885CA1 3728/4885
US-20160046590-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO SLC1A1 4492/4885TACR1 3310/4885CA1 1954/4885

“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.