SCHEMBL19682786

SCHEMBL19682786

CC(Br)c1cc(F)cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2A6 P11509 2/20 0.39
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPRT1 P00492 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
P2RX7 Q99572 1/20 0.33
TRPM4 Q8TD43 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL23979720 0.84 CYP1A2 (0.46) CYP1A2ALDH1A1CYP2C9CYP2C19CYP2A6
SCHEMBL19682341 0.81 CYP1A2 (0.41) CYP1A2ALDH1A1CYP2C9CYP2C19CYP2A6
SCHEMBL27481887 0.79 CYP1A2 (0.42) CYP1A2ALDH1A1CYP2C9CYP2C19CYP2A6
SCHEMBL2332847 0.75 ALDH1A1 (0.68) CYP1A2ALDH1A1CYP2C9CYP2C19CYP2A6
SCHEMBL27663212 0.75 CA1 (0.47) CYP1A2ALDH1A1CYP2C9CYP2C19CYP1B1
SCHEMBL5252919 0.74 CYP1A2 (0.40) CYP1A2ALDH1A1CYP2C9CYP2C19CYP2A6
SCHEMBL31627566 0.73 AKR1B1 (0.41) CYP1A2ALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL4642610 0.73 ALDH1A1 (0.42) CYP1A2ALDH1A1CYP2C9CYP2C19CYP2A6
SCHEMBL29853842 0.73 ALDH1A1 (0.42) CYP1A2ALDH1A1CYP2C9CYP2C19CYP2A6
SCHEMBL11273383 0.72 UGT2B7 (0.41) CYP1A2ALDH1A1CYP2C9CYP2C19CYP2A6

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-10889555-B2 Sulfonamide compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-01-12 US disclosed
US-20200405697-A1 Antitumor Agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-31 US disclosed
US-20200399235-A1 Sulfonamide Compound or Salt Thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-24 US disclosed
EP-3718545-A1 ANTITUMOR AGENT Taiho Pharmaceutical Co., Ltd. (JP) 2020-10-07 EP disclosed
US-20200157066-A1 Sulfonamide Compound or Salt Thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-05-21 US disclosed
EP-3466934-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2019-04-10 EP disclosed
WO-2017209155-A1 SULFONAMIDE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-12-07 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-20200399235-A1 Sulfonamide Compound or Salt Thereof RNASEH1, SNRPA1, RRM2 CYP1A2 1220/4885ALDH1A1 1103/4885CYP2C9 2356/4885
US-20200157066-A1 Sulfonamide Compound or Salt Thereof RNASEH1, SNRPA1, RRM2 CYP1A2 1220/4885ALDH1A1 1103/4885CYP2C9 2356/4885
US-10889555-B2 Sulfonamide compound or salt thereof RNASEH1, SNRPA1, RRM2 CYP1A2 1220/4885ALDH1A1 1103/4885CYP2C9 2356/4885
US-20200405697-A1 Antitumor Agent HNRNPR, RRM2, RRM2B CYP1A2 1869/4885ALDH1A1 1397/4885CYP2C9 3523/4885

“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.