SCHEMBL497840

SCHEMBL497840

N[C@](C=O)(CO)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.41
HTT P42858 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
KIF11 P52732 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL2090902 0.79 CYP1A2 (0.46) KCNN4CYP1A2CYP2D6MAPTKMT2A
SCHEMBL1712531 0.77 CYP1A2 (0.47) KCNN4HTTCYP1A2CYP2D6MAPT
SCHEMBL1712450 0.77 CYP1A2 (0.47) KCNN4HTTCYP1A2CYP2D6MAPT
SCHEMBL1712451 0.77 CYP1A2 (0.47) KCNN4HTTCYP1A2CYP2D6MAPT
SCHEMBL10885482 0.75 MAPT (0.50) KCNN4HTTCYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL8064648 0.75 CYP1A2 (0.46) KCNN4HTTCYP1A2CYP2D6MAPT
SCHEMBL342226 0.74 ALDH1A1 (0.38) KCNN4HTTCYP1A2MAPTKMT2A
SCHEMBL12494871 0.73 KIF11 (0.42) KCNN4KIF11
SCHEMBL1291194 0.72 KDM4E (0.39) HTTCYP1A2CYP2D6MAPTKMT2A
SCHEMBL453393 0.72 KCNN4 (0.52) KCNN4CYP1A2CYP2D6MAPTKMT2A

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 283 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-11-14 US disclosed
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-17 US disclosed
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-07-27 US disclosed
US-9629789-B2 Rosacea treatments using polymetal complexes OBAGI MEDICAL PRODUCTS, INC. (US) 2017-04-25 US disclosed
US-20170088576-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-03-30 US disclosed
US-9593138-B2 Nitrile-containing enzyme inhibitors and ruthenium complexes thereof WAYNE STATE UNIVERSITY (US) 2017-03-14 US disclosed
US-9579332-B2 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2017-02-28 US disclosed
US-9556113-B2 Combination uses of dichloroacetate and oxamate, and their prodrugs, for cancer treatment THE SOUTH DAKOTA BOARD OF REGENTS (US) 2017-01-31 US disclosed
US-9457035-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2016-10-04 US disclosed
WO-1998017647-A1 PIPERIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 1998-04-30 WO disclosed
US-5693771-A REACTING PROTECTED PYRAN COMPOUND WITH PHOSPHITE AND HETEROCYCLIC BASE GILEAD SCIENCES, INC. (US) 1997-12-02 US disclosed
US-5659023-A HETEROCYCLIC FURANOSYL OR PYRANOSYL PHOSPHONATE; IMMUNOGENS, OLIGONUCLEOTIDES, ANTIINFECTIVES, ANTIINFLAMMATORY AGENTS GILEAD SCIENCES, INC. (US) 1997-08-19 US disclosed
US-5656745-A AMIDATE LINKAGE; ANTITUMOR, ANTICARCINOGENIC AGENTS GILEAD SCIENCES, INC. (US) 1997-08-12 US disclosed
EP-0759917-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1997-03-05 EP disclosed
US-5591851-A ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 1997-01-07 US disclosed
WO-1996026933-A9 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES 1996-11-28 WO disclosed
WO-1996026933-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1996-09-06 WO disclosed
EP-0719274-A1 METHOD FOR DOSING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1996-07-03 EP disclosed
WO-1995007919-A1 METHOD FOR DOSING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1995-03-23 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 (5 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-20170088576-A1 ANTIVIRAL COMPOUNDS EIF2AK2, MAVS, ITPA KCNN4 3966/4885HTT 2589/4885CYP1A2 4700/4885
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA KCNN4 4387/4885HTT 3923/4885CYP1A2 4641/4885
US-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA KCNN4 4387/4885HTT 3923/4885CYP1A2 4641/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA KCNN4 4387/4885HTT 3923/4885CYP1A2 4641/4885
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA KCNN4 4387/4885HTT 3923/4885CYP1A2 4641/4885

“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.