SCHEMBL21631387

SCHEMBL21631387

CC(=O)Nc1ccc(Br)c(Cl)c1O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.53
CXCR1 P25024 6/20 0.49
CXCR2 P25025 6/20 0.49
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.39
EPHX1 P07099 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TOP2A P11388 2/20 0.38

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
SCHEMBL31387660 1.00 RXFP1 (0.53) RXFP1CXCR1CXCR2CA1CA2
SCHEMBL7001806 0.85 RXFP1 (0.56) RXFP1CXCR1CXCR2CA1CA2
SCHEMBL2429572 0.82 RXFP1 (0.53) RXFP1CA1CA2CA9NPC1
SCHEMBL21631657 0.81 CXCR1 (0.46) CXCR1CXCR2POLBMAPTKDM4E
SCHEMBL31387684 0.81 CXCR1 (0.46) CXCR1CXCR2POLBMAPTKDM4E
SCHEMBL31387679 0.81 RXFP1 (0.56) RXFP1CA1CA2CA9NPC1
SCHEMBL1643973 0.81 RXFP1 (0.56) RXFP1CA1CA2CA9NPC1
SCHEMBL11732228 0.80 ALDH1A1 (0.48) RXFP1CXCR1CXCR2CA1CA2
SCHEMBL21487977 0.75 RXFP1 (0.53) RXFP1CA1CA2CA9NPC1
SCHEMBL26921670 0.74 RXFP1 (0.49) RXFP1CA1CA2CA9NPC1

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-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-20220363693-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2022-11-17 US disclosed
EP-3827009-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 Taiho Pharmaceutical Co., Ltd. (JP) 2021-06-02 EP disclosed
CN-112513050-A Heterocyclic compounds inhibiting SHP2 activity 大鹏药品工业株式会社 2021-03-16 CN disclosed
WO-2020022323-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-01-30 WO disclosed
WO-2020022323-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-01-30 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 (2 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-20220363693-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN9, PTPN7 RXFP1 563/4885CXCR1 139/4885CXCR2 86/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 RXFP1 586/4885CXCR1 98/4885CXCR2 74/4885

“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.