SCHEMBL2679622

SCHEMBL2679622

Oc1cccc2c1CCS2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
HPGD P15428 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD2 P14416 3/20 0.35
DRD3 P35462 2/20 0.35
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 2/20 0.35
EGFR P00533 2/20 0.35
CA2 P00918 2/20 0.35
LMNA P02545 2/20 0.35
FYN P06241 2/20 0.35
MMP9 P14780 2/20 0.35
ALOX15 P16050 2/20 0.35
RECQL P46063 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ADAMTS4 O75173 1/20 0.35
CA1 P00915 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL31103410 1.00 BCL2L1 (0.42) BCL2L1BADHPGDNPSR1DRD2
SCHEMBL11444500 0.77
SCHEMBL9456263 0.74 DRD2 (0.40) BCL2L1BADHPGDDRD2DRD3
SCHEMBL17080822 0.74 ADRA2A (0.37) HPGDNPSR1DRD2ALDH1A1LMNA
SCHEMBL14451090 0.74 HPGD (0.36) HPGDNPSR1PARP1ALDH1A1CA2
SCHEMBL12670565 0.74 HPGD (0.36) HPGDNPSR1DRD2ALDH1A1NPC1
SCHEMBL31424250 0.74 HPGD (0.36) HPGDNPSR1DRD2DRD3ALDH1A1
SCHEMBL10817355 0.74 CD44 (0.37) HPGDNPSR1DRD2PARP1ALDH1A1
SCHEMBL29897982 0.74 HPGD (0.36) HPGDNPSR1DRD2ALDH1A1NPC1
SCHEMBL23861131 0.72 MAOA (0.44) HPGDNPSR1ALDH1A1CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111217776-A Amide derivative containing benzo heterocyclic structure, composition and application 中国人民解放军军事科学院军事医学研究院 2020-06-02 CN disclosed
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-05-10 US disclosed
US-4576632-A HERBICIDES, PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-03-18 US disclosed
US-4494979-A HERBICIDES;PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-01-22 US disclosed
EP-0071441-A2 Benzofuran sulfamates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-02-09 EP disclosed
EP-0009142-A1 4-Hydroxy-2H(1)benzothieno(2,3-e)-1,2-thiazine-3-carboxamide-1,1-dioxide derivatives and salts thereof, their use and process for their preparation Dr. Karl Thomae GmbH (DE) 1980-04-02 EP 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 (1 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-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 BCL2L1 3156/4885BAD 1328/4885HPGD 2407/4885

“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.