Sugi Predict

Sugi Predict / Compounds / SCHEMBL4437402

SCHEMBL4437402

SCHEMBL4437402

O=C(CCl)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ EPHX1 P07099 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ NAAA Q02083 1/20 0.38
▸ HSD11B1 P28845 4/20 0.37
▸ RECQL P46063 1/20 0.35
▸ HSD11B2 P80365 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL9043577 1.00 CES2 (0.50) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL3990466 0.97 — —
SCHEMBL1132078 0.86 — —
SCHEMBL10975907 0.80 CES2 (0.46) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL24692542 0.80 TSHR (0.36) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL29333093 0.78 CES2 (0.55) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL28425729 0.78 CES2 (0.55) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL29333109 0.78 CES2 (0.55) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL599277 0.78 CES2 (0.55) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL3988845 0.77 CES2 (0.42) CES2CES1HDAC8HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0908473-B1 Styrene polymers, chemically-amplified positive resist compositions, their preparation and use in a patterning process SHINETSU CHEMICAL CO (JP) 2006-02-01 — — EP claimed
US-20240158392-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES JANSSEN RESEARCH & DEVELOPMENT, LLC 2024-05-16 — — US disclosed
EP-4284801-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES Janssen Biotech, Inc. (US) 2023-12-06 — — EP disclosed
WO-2022165529-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES JANSSEN BIOTECH, INC. (US) 2022-08-04 — — WO disclosed
CN-111548258-A Use of sulfonyl type compounds as chlorination reagents 北京旭阳科技有限公司 2020-08-18 — — CN disclosed
US-8563722-B2 Stereoselective hydrogenation of a ketone GLAXO GROUP LIMITED (GB) 2013-10-22 — — US disclosed
US-20110306765-A1 STEREOSELECTIVE HYDROGENATION OF A KETONE GLAXO GROUP LIMITED (GB) 2011-12-15 — — US disclosed
EP-2121656-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE Pfizer Products Inc. (US) 2009-11-25 — — EP disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 — — US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 — — US disclosed
US-6384169-B1 POLYHYDROXYSTYRENE WITH ACID LABILE GROUP, MODIFIED AT ENDS WITH ALKYLS, ESTERS OR ALCOHOLS; INCREASED DISSOLUTION RATE, HIGH SENSITIVITY AND RESOLUTION; RESIST PATTERNS HAVE PLASMA ETCHING RESISTANCE, HEAT RESISTANCE, REPRODUCIBILITY SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-05-07 — — US disclosed
EP-0908473-A1 Styrene polymers, chemically-amplified positive resist compositions, their preparation and use in a patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-04-14 — — EP disclosed
EP-0777660-A1 NOVEL ALKYLAMINO DERIVATIVES AS SIGMA 2 SELECTIVE LIGANDS MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-11 — — EP disclosed
WO-1996005185-A1 NOVEL ALKYLAMINO DERIVATIVES AS SIGMA 2 SELECTIVE LIGANDS MITSUBISHI CHEMICAL CORPORATION (JP) 1996-02-22 — — WO disclosed
US-4898871-A Pyrrole derivatives and pharmaceutical compositions which contain them as hypnotics and anticonvulsants RHONE-POULENC SANTE (FR) 1990-02-06 — — US disclosed
US-4631280-A Pyridazine derivatives having a psychotropic action, and medicaments in which they are present SANOFI (FR) 1986-12-23 — — US disclosed
US-4565814-A Pyridazine derivatives having a psychotropic action and compositions SANOFI (FR) 1986-01-21 — — US disclosed
US-4240983-A HALOGENATION BAYER AKTIENGESELLSCHAFT (DE) 1980-12-23 — — US disclosed
US-4064244-A ANOREXIGENIC AGENTS, ANTIMIGRAINE AGENTS SANDOZ LTD. (CH) 1977-12-20 — — US disclosed
US-3932471-A CARBAMYLOXIMES, INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1976-01-13 — — 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-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE SPTLC1, SPTLC2, CPT1A CES2 744/4885CES1 23/4885HDAC8 3800/4885
US-20240158392-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES SIK2, SIK1, SGK2 CES2 3164/4885CES1 2453/4885HDAC8 482/4885
US-20110306765-A1 STEREOSELECTIVE HYDROGENATION OF A KETONE CCR2, CX3CR1, CCR1 CES2 754/4885CES1 599/4885HDAC8 2843/4885

“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.