SCHEMBL2437801

SCHEMBL2437801

O=C(O)N[C@@H](Cc1ccccc1)[C@@H]1CO1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.40
CTRB1 P17538 2/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3508763 1.00 NPC1 (0.44) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL2438588 1.00 NPC1 (0.44) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL21979446 1.00 NPC1 (0.44) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL495878 1.00 NPC1 (0.44) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL5930119 1.00 NPC1 (0.44) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL23092514 1.00 NPC1 (0.44) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL3169175 0.88 SLC7A5 (0.42) KMT2ASLC7A5L3MBTL1
SCHEMBL13536230 0.88 CTRB1 (0.51) NPC1RAB9AKMT2ACTRB1L3MBTL1
SCHEMBL13536301 0.88 NPC1 (0.41) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL12195833 0.88 NPC1 (0.41) NPC1RAB9ACYP1A2KMT2AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3409765-B1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS INC (US) 2021-08-04 EP disclosed
EP-3409765-A2 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS Codexis, Inc. (US) 2018-12-05 EP disclosed
EP-2446025-B1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS INC (US) 2018-08-08 EP disclosed
US-9404092-B2 Ketoreductase-mediated stereoselective route to alpha chloroalcohols CODEXIS, INC. (US) 2016-08-02 US disclosed
US-20160160187-A1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-06-09 US disclosed
EP-2069303-B1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2016-03-30 EP disclosed
US-9296992-B2 Ketoreductase-mediated stereoselective route to alpha chloroalcohols CODEXIS, INC. (US) 2016-03-29 US disclosed
US-20150240217-A1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-08-27 US disclosed
US-9029112-B2 Ketoreductase-mediated stereoselective route to alpha chloroalcohols CODEXIS, INC. (US) 2015-05-12 US disclosed
US-20140308732-A1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2014-10-16 US disclosed
US-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 US disclosed
US-20120190086-A1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS, INC. (US) 2012-07-26 US disclosed
EP-2446025-A2 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS Codexis, Inc. (US) 2012-05-02 EP disclosed
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7723380-B2 Tetrahydrofuro[2,3-b]furyl carbamates containing an (oxy)hydrazide group; these compounds target the HIV protease in both wild type and mutant strains of HIV. GILEAD SCIENCES, INC. (US) 2010-05-25 US disclosed
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-12-10 US disclosed
US-20090105279-A1 Antiviral protease inhibitors GILEAD SCIENCES, INC. 2009-04-23 US disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 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 (4 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 NPC1 959/4885RAB9A 2076/4885CYP1A2 920/4885
US-20090105279-A1 Antiviral protease inhibitors ACE, TMPRSS15, MME NPC1 406/4885RAB9A 1820/4885CYP1A2 3784/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP NPC1 569/4885RAB9A 2012/4885CYP1A2 2459/4885
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS ACE, DNPEP, TMPRSS15 NPC1 375/4885RAB9A 1786/4885CYP1A2 3878/4885

“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.