SCHEMBL12150543

SCHEMBL12150543

O=C(/C=C(\O)c1cc(CO)ccn1)c1cccc(Cc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 2/20 0.39
▸ PRSS2 P07478 2/20 0.39
▸ PRSS3 P35030 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.38
▸ GPR52 Q9Y2T5 3/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL7077243 0.81 PTPN1 (0.43) PRSS1PRSS2PRSS3HDAC1KDM1A
SCHEMBL5521631 0.73 KDM4E (0.52) SMN1; SMN2MAPTLMNAALDH1A1KDM5A
SCHEMBL1375356 0.72 PRSS1 (0.50) PRSS1PRSS2PRSS3HDAC1NFE2L2
SCHEMBL1375355 0.72 PRSS1 (0.50) PRSS1PRSS2PRSS3HDAC1NFE2L2
SCHEMBL17440067 0.70 PLA2G2A (0.51) PRSS1PRSS2PRSS3KDM5AKDM2B
SCHEMBL28751518 0.70 FOLH1 (0.50) SMN1; SMN2NPC1MAPTRAB9ATP53
SCHEMBL6487858 0.68 NR3C2 (0.44) GPR52PTPN1SMN1; SMN2LMNAALDH1A1
SCHEMBL30112054 0.68 KDM4E (0.57) SMN1; SMN2MAPTLMNAALDH1A1KDM5A
SCHEMBL743017 0.68 KDM4E (0.57) SMN1; SMN2MAPTLMNAALDH1A1KDM5A
SCHEMBL7081081 0.68 MRGPRX4 (0.42) GPR52PTPN1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 — — US disclosed
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 — — US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 — — US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 — — US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 — — US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 — — US disclosed
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 — — US disclosed
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 — — US disclosed
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 — — US disclosed
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 — — US disclosed
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 — — US disclosed
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 — — US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 — — US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 — — 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 (3 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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP PRSS1 2373/4885PRSS2 3237/4885PRSS3 2996/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP PRSS1 2373/4885PRSS2 3237/4885PRSS3 2996/4885
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP PRSS1 2373/4885PRSS2 3237/4885PRSS3 2996/4885

“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.

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