SCHEMBL3115111

SCHEMBL3115111

O=C(O)CC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
PAM P19021 2/20 0.45
HSP90AA1 P07900 1/20 0.44
CFTR P13569 1/20 0.40
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AKR1B1 P15121 1/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 2/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
Bromide SCHEMBL5222954 0.98 USP2 (0.45) USP2PAMHSP90AA1CFTRCA2
SCHEMBL7281507 0.98 USP2 (0.45) USP2PAMHSP90AA1CFTRCA2
SCHEMBL27728842 0.87 HSP90AA1 (0.44) USP2PAMHSP90AA1CFTRCA2
SCHEMBL7063121 0.83 HSP90AA1 (0.42) USP2HSP90AA1CFTRCA2CA4
SCHEMBL5222945 0.83 HSP90AA1 (0.42) USP2PAMHSP90AA1CFTRCA2
SCHEMBL10538450 0.82 MAPT (0.48) HSP90AA1TSHRGAAALOX15MEN1
Lithium Ion SCHEMBL7281502 0.82 HSP90AA1 (0.41) USP2PAMHSP90AA1CFTRCA2
SCHEMBL27646839 0.82 HSP90AA1 (0.41) USP2PAMHSP90AA1CFTRCA2
SCHEMBL4139139 0.79 NPSR1 (0.44) USP2HSP90AA1CFTRNPSR1TSHR
SCHEMBL5593415 0.79 POLB (0.54) HSP90AA1TSHRMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10159745-B2 Tubulysin derivatives MEDIMMUNE, LLC (US) 2018-12-25 US disclosed
EP-3129362-A1 TUBULYSIN DERIVATIVES Medimmune, LLC (US) 2017-02-15 EP disclosed
US-20160339114-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2016-11-24 US disclosed
US-9427479-B2 Tubulysin derivatives MEDIMMUNE LLC (US) 2016-08-30 US disclosed
US-20150291657-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2015-10-15 US disclosed
WO-2015157594-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2015-10-15 WO disclosed
WO-2010055006-A1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
EP-2170849-A1 OXAZOLE TYROSINE KINASE INHIBITORS Sareum Limited (GB) 2010-04-07 EP disclosed
WO-2008139161-A1 OXAZOLE TYROSINE KINASE INHIBITORS SAREUM LIMITED (GB) 2008-11-20 WO disclosed
WO-1995028377-A1 GUANIDINE COMPOUNDS AS REGULATORS OF NITRIC OXIDE SYNTHASE ABBOTT LABORATORIES (US) 1995-10-26 WO disclosed
EP-0290145-B1 Aliphatic carboxamides ICI AMERICA INC (US) 1994-10-26 EP disclosed
EP-0337766-B1 HETERA-ALIPHATIC CARBOXAMIDES ICI AMERICAS INC. (US) 1993-03-10 EP disclosed
US-5041460-A Antiallergens, antiinflammatory agents and leukotriene antagonists ICI AMERICAS INC. (US) 1991-08-20 US disclosed
EP-0421419-A2 Tocotrienols in the treatment of hypercholesterolemia, hyperlipidemia and thromboembolic disorders Bristol-Myers Squibb Company (US) 1991-04-10 EP disclosed
US-4894386-A ANTIINFLAMMATORY AGENTS ICI AMERICAS INC. (US) 1990-01-16 US disclosed
EP-0337766-A1 Hetera-aliphatic carboxamides ICI AMERICAS INC. (US) 1989-10-18 EP disclosed
US-4052512-A MENSTRUAL REGULATION ONO PHARMACEUTICAL CO., LTD. (JA) 1977-10-04 US disclosed
US-3931296-A Trans-Δ2 -prostaglandins HAYASHI MASAKI 1976-01-06 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-10159745-B2 Tubulysin derivatives TEKT1, TWF2, TEK USP2 3521/4885PAM 4783/4885HSP90AA1 566/4885
US-20150291657-A1 TUBULYSIN DERIVATIVES TEKT1, TWF2, TEK USP2 3521/4885PAM 4783/4885HSP90AA1 566/4885
US-20160339114-A1 TUBULYSIN DERIVATIVES TEKT1, TWF2, TEK USP2 3521/4885PAM 4783/4885HSP90AA1 566/4885

“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.